Project name: a10cf14b44eab0c

Status: done

Started: 2025-12-09 12:11:06
Settings
Chain sequence(s) L: KWAELAYSGLWFDPD
input PDB
Selected Chain(s) L
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-1.8347
Maximal score value
1.9511
Average score
-0.0055
Total score value
-0.0822

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
243 K L -1.4816
244 W L 0.8835
245 A L -0.0632
246 E L -1.7816
247 L L -0.0814
248 A L 0.2767
249 Y L 1.2783
250 S L -0.0414
251 G L -0.3361
252 L L 1.0566
253 W L 1.7040
254 F L 1.9511
255 D L -0.8389
256 P L -0.7735
257 D L -1.8347
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Laboratory of Theory of Biopolymers 2018